2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide

C26H31N3O — CID 22146632

IUPAC2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)NC(CC)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C26H31N3O/c1-3-16-29(18-19-14-15-19)25-17-22(21-12-8-9-13-24(21)27-25)26(30)28-23(4-2)20-10-6-5-7-11-20/h5-13,17,19,23H,3-4,14-16,18H2,1-2H3,(H,28,30)
InChIKeyZCJOLKYYVBMGLC-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.74
Rot. Bonds9

About 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide

2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide (PubChem CID 22146632) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide
PubChem CID22146632
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide
SMILESCCCN(CC1CC1)c1cc(C(=O)NC(CC)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C26H31N3O/c1-3-16-29(18-19-14-15-19)25-17-22(21-12-8-9-13-24(21)27-25)26(30)28-23(4-2)20-10-6-5-7-11-20/h5-13,17,19,23H,3-4,14-16,18H2,1-2H3,(H,28,30)
InChIKeyZCJOLKYYVBMGLC-UHFFFAOYSA-N
XLogP5.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
2-(3-fluorophenyl)-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 11646686
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
CID 61441562
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
CID 2415269
(2R)-3-cyclopropyl-2-[(2-methylquinoline-4-carbonyl)amino]propanoic acid
CID 129467380
2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide
CID 119034175
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
2-chloro-N-(cyclopropylmethyl)-N-propylquinazolin-4-amine
CID 55081167
6-N-(cyclopropylmethyl)-6-N-methyl-8-N-(1-phenylpropyl)-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6,8-dicarboxamide
CID 123845454
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide (CID 22146632) is 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide is CCCN(CC1CC1)c1cc(C(=O)NC(CC)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide?
The InChIKey is ZCJOLKYYVBMGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-3-16-29(18-19-14-15-19)25-17-22(21-12-8-9-13-24(21)27-25)26(30)28-23(4-2)20-10-6-5-7-11-20/h5-13,17,19,23H,3-4,14-16,18H2,1-2H3,(H,28,30).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide?
2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-N-(1-phenylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 22146632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).